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2-Phenyl-5-(2-pyrrolyl)-2,3-dihydro-1,2,4-triazol-3-one

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2-Phenyl-5-(2-pyrrolyl)-2,3-dihydro-1,2,4-triazol-3-one
SpectraBase Compound ID 4KIK1Io3pVY
InChI InChI=1S/C12H10N4O/c17-12-14-11(10-7-4-8-13-10)15-16(12)9-5-2-1-3-6-9/h1-8,13H,(H,14,15,17)
InChIKey AAOCBXLSFOELSW-UHFFFAOYSA-N
Mol Weight 226.24 g/mol
Molecular Formula C12H10N4O
Exact Mass 226.085461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2nav8YrDyt
Name 2-Phenyl-5-(2-pyrrolyl)-2,3-dihydro-1,2,4-triazol-3-one
CAS Registry Number 59812-33-8
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C12H10N4O
InChI InChI=1S/C12H10N4O/c17-12-14-11(10-7-4-8-13-10)15-16(12)9-5-2-1-3-6-9/h1-8,13H,(H,14,15,17)
InChIKey AAOCBXLSFOELSW-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference W.M. Litchman, U. Hollstein, Org. Magn. Resonance 11, 137 (1978).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6